KCFFile.h

Go to the documentation of this file.

// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//

#ifndef BALL_FORMAT_KCFFILE_H
#define BALL_FORMAT_KCFFILE_H

#ifndef BALL_FORMAT_GENERICMOLFILE_H
# include <BALL/FORMAT/genericMolFile.h>
#endif

#ifndef BALL_MATHS_VECTOR3_H
# include <BALL/MATHS/vector3.h>
#endif

namespace BALL 
{
  class System;
  class Atom;
  class Molecule;

  class BALL_EXPORT KCFFile
    : public GenericMolFile
  {
    public:

    static const char* ENTRY_TAG;
    static const char* NODE_TAG;
    static const char* EDGE_TAG;
    static const char* DELIMITER_TAG;
    static const char* CONTINUED_LINE;
    
    typedef HashMap<const Atom*, Position> AtomIndexMap;
    typedef HashMap<Position, Atom*> IndexAtomMap;
    

    KCFFile();

    KCFFile(const String& filename, File::OpenMode open_mode = std::ios::in);

    virtual ~KCFFile();

    
    virtual bool write(const Molecule& molecule);

    virtual bool write(const System& system);
    
    virtual bool read(System& system);

    virtual Molecule* read();

    const KCFFile& operator = (const KCFFile& file);


    protected:

    bool readENTRY_(Molecule& mol);   
    bool readNODE_(Molecule& mol, IndexAtomMap& index_to_atom);
    bool readEDGE_(IndexAtomMap& index_to_atom);    
    bool readDELIMITER_();
  };
  
} // namespace BALL

#endif // BALL_FORMAT_KCFFILE_H